Chemical Properties of Cineroctine

Cineroctine

InChI
InChI=1S/C22H34N2O4/c1-2-3-5-17(25)11-22(27)28-18-8-9-23-13-15-10-16(20(23)12-18)14-24-19(15)6-4-7-21(24)26/h3,5,15-20,25H,2,4,6-14H2,1H3/b5-3+/t15?,16?,17?,18-,19?,20-/m1/s1
InChI Key
SUVSPYYWRFXZNA-JREHQPMPSA-N
Formula
C22H34N2O4
SMILES
CCC=CC(O)CC(=O)OC1CCN2CC3CC(CN4C(=O)CCCC34)C2C1
Molecular Weight1
390.52
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Physical Properties

Property Value Unit Source
ω 0.8676 Relay (1.0) Calculated Property
ΔfG° -114.40 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -865.69 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 135.66 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -1.87 Relay (1.0) Calculated Property
logPoct/wat 2.111 Crippen Calculated Property
McVol 307.940 ml/mol McGowan Calculated Property
Pc 531.98 kPa Relay (1.0-beta) Calculated Property
Inp 3170.00 NIST
Tboil 712.39 K Relay (1.0) Calculated Property
Tc 1015.18 K Relay (1.0) Calculated Property
Tfus 442.24 K Relay (1.0) Calculated Property
Vc 1.110 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Butanoic acid, 2-(1-methylethyl)-2,3-bis[(trimethylsilyl)oxy]-, [2,3,5,7a-tetrahydro-1-[(trimethylsilyl)oxy]-1H-pyrrolizin-7-yl]methy l ester, [1R-[1«alpha»,7(2R*,3S*),7a«beta»]]-. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Cineroctine.

Sources

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